USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 676 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 MET CE :methyl 175:sc= -0.301 (180deg=-0.307) USER MOD Set 1.2: A 58 THR OG1 : rot -55:sc= 1.19 USER MOD Set 2.1: A 40 ASN : amide:sc= -0.13 K(o=0.035,f=0.86) USER MOD Set 2.2: A 44 ASN : amide:sc= 0.165 K(o=0.035,f=0.86) USER MOD Set 3.1: A 16 CYS SG : rot -140:sc= 0 USER MOD Set 3.2: A 72 THR OG1 : rot 37:sc= 1.33 USER MOD Single : A 0 MET CE :methyl -171:sc=-0.00232 (180deg=-0.129) USER MOD Single : A 0 MET N :NH3+ -127:sc= 0.0195 (180deg=-0.0212) USER MOD Single : A 1 SER OG : rot 9:sc= 1.19 USER MOD Single : A 2 LYS NZ :NH3+ 177:sc= 1.32 (180deg=1.26) USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= 0.682 (180deg=0.655) USER MOD Single : A 9 THR OG1 : rot -140:sc= -0.122 USER MOD Single : A 10 SER OG : rot 52:sc= 0.0533 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.388 K(o=-0.39,f=-1.7) USER MOD Single : A 20 LYS NZ :NH3+ -117:sc= 1.42 (180deg=-1.4) USER MOD Single : A 28 ASN : amide:sc= 0.819 K(o=0.82,f=-0.045) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.283 K(o=-0.28,f=-1.1) USER MOD Single : A 47 LYS NZ :NH3+ -132:sc= 0.742 (180deg=0.14) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -179:sc= 0 (180deg=-0.00269) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= -0.765 (180deg=-1.59!) USER MOD Single : A 81 LYS NZ :NH3+ 174:sc= 0.405 (180deg=0.341) USER MOD Single : A 82 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 6.343 -13.396 14.807 1.00 0.00 N ATOM 2 CA MET A 0 5.736 -12.235 14.133 1.00 0.00 C ATOM 3 C MET A 0 6.159 -12.205 12.671 1.00 0.00 C ATOM 4 O MET A 0 7.237 -12.679 12.310 1.00 0.00 O ATOM 5 CB MET A 0 6.129 -10.896 14.773 1.00 0.00 C ATOM 6 CG MET A 0 5.746 -10.750 16.243 1.00 0.00 C ATOM 7 SD MET A 0 3.972 -10.770 16.594 1.00 0.00 S ATOM 8 CE MET A 0 3.408 -9.263 15.761 1.00 0.00 C ATOM 0 H1 MET A 0 5.601 -13.949 15.282 1.00 0.00 H new ATOM 0 H2 MET A 0 6.824 -13.993 14.104 1.00 0.00 H new ATOM 0 H3 MET A 0 7.033 -13.067 15.512 1.00 0.00 H new ATOM 0 HA MET A 0 4.657 -12.353 14.231 1.00 0.00 H new ATOM 0 HB2 MET A 0 7.207 -10.768 14.679 1.00 0.00 H new ATOM 0 HB3 MET A 0 5.661 -10.089 14.209 1.00 0.00 H new ATOM 0 HG2 MET A 0 6.218 -11.556 16.805 1.00 0.00 H new ATOM 0 HG3 MET A 0 6.162 -9.814 16.617 1.00 0.00 H new ATOM 0 HE1 MET A 0 2.370 -9.066 16.028 1.00 0.00 H new ATOM 0 HE2 MET A 0 4.028 -8.422 16.071 1.00 0.00 H new ATOM 0 HE3 MET A 0 3.486 -9.393 14.682 1.00 0.00 H new ATOM 20 N SER A 1 5.326 -11.628 11.809 1.00 0.00 N ATOM 21 CA SER A 1 5.658 -11.178 10.464 1.00 0.00 C ATOM 22 C SER A 1 4.633 -10.108 10.095 1.00 0.00 C ATOM 23 O SER A 1 3.821 -10.291 9.194 1.00 0.00 O ATOM 24 CB SER A 1 5.669 -12.363 9.488 1.00 0.00 C ATOM 25 OG SER A 1 6.843 -13.128 9.717 1.00 0.00 O ATOM 0 H SER A 1 4.349 -11.453 12.045 1.00 0.00 H new ATOM 0 HA SER A 1 6.660 -10.751 10.412 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.782 -12.980 9.632 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.645 -12.005 8.459 1.00 0.00 H new ATOM 0 HG SER A 1 7.294 -12.802 10.524 1.00 0.00 H new ATOM 31 N LYS A 2 4.626 -9.007 10.851 1.00 0.00 N ATOM 32 CA LYS A 2 3.680 -7.915 10.681 1.00 0.00 C ATOM 33 C LYS A 2 4.014 -7.164 9.396 1.00 0.00 C ATOM 34 O LYS A 2 4.938 -6.344 9.403 1.00 0.00 O ATOM 35 CB LYS A 2 3.710 -6.998 11.911 1.00 0.00 C ATOM 36 CG LYS A 2 2.610 -5.935 11.803 1.00 0.00 C ATOM 37 CD LYS A 2 1.265 -6.435 12.350 1.00 0.00 C ATOM 38 CE LYS A 2 0.215 -5.405 11.944 1.00 0.00 C ATOM 39 NZ LYS A 2 -1.088 -5.596 12.602 1.00 0.00 N ATOM 0 H LYS A 2 5.291 -8.852 11.609 1.00 0.00 H new ATOM 0 HA LYS A 2 2.665 -8.302 10.594 1.00 0.00 H new ATOM 0 HB2 LYS A 2 3.569 -7.587 12.817 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.685 -6.517 11.992 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.914 -5.043 12.351 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.490 -5.643 10.760 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.022 -7.416 11.942 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.304 -6.541 13.434 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.588 -4.408 12.178 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.076 -5.448 10.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.735 -4.833 12.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.489 -6.513 12.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.962 -5.577 13.634 1.00 0.00 H new ATOM 53 N VAL A 3 3.302 -7.433 8.314 1.00 0.00 N ATOM 54 CA VAL A 3 3.493 -6.754 7.038 1.00 0.00 C ATOM 55 C VAL A 3 2.627 -5.483 7.049 1.00 0.00 C ATOM 56 O VAL A 3 1.578 -5.442 7.698 1.00 0.00 O ATOM 57 CB VAL A 3 3.142 -7.765 5.919 1.00 0.00 C ATOM 58 CG1 VAL A 3 3.201 -7.243 4.479 1.00 0.00 C ATOM 59 CG2 VAL A 3 4.076 -8.991 5.941 1.00 0.00 C ATOM 0 H VAL A 3 2.565 -8.138 8.294 1.00 0.00 H new ATOM 0 HA VAL A 3 4.518 -6.429 6.860 1.00 0.00 H new ATOM 0 HB VAL A 3 2.105 -8.001 6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.935 -8.045 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.500 -6.417 4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.211 -6.896 4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.796 -9.676 5.140 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.106 -8.666 5.797 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.987 -9.499 6.901 1.00 0.00 H new ATOM 69 N LYS A 4 3.051 -4.428 6.347 1.00 0.00 N ATOM 70 CA LYS A 4 2.313 -3.174 6.235 1.00 0.00 C ATOM 71 C LYS A 4 2.196 -2.821 4.766 1.00 0.00 C ATOM 72 O LYS A 4 3.213 -2.593 4.106 1.00 0.00 O ATOM 73 CB LYS A 4 2.977 -2.017 7.006 1.00 0.00 C ATOM 74 CG LYS A 4 3.139 -2.251 8.516 1.00 0.00 C ATOM 75 CD LYS A 4 4.475 -2.920 8.858 1.00 0.00 C ATOM 76 CE LYS A 4 4.582 -3.128 10.367 1.00 0.00 C ATOM 77 NZ LYS A 4 5.813 -3.868 10.699 1.00 0.00 N ATOM 0 H LYS A 4 3.932 -4.425 5.833 1.00 0.00 H new ATOM 0 HA LYS A 4 1.330 -3.317 6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.961 -1.830 6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.386 -1.114 6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.068 -1.298 9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.320 -2.874 8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.554 -3.878 8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.301 -2.301 8.508 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.582 -2.163 10.874 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.712 -3.677 10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.923 -3.913 11.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.752 -4.833 10.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.633 -3.381 10.284 1.00 0.00 H new ATOM 91 N ILE A 5 0.970 -2.802 4.259 1.00 0.00 N ATOM 92 CA ILE A 5 0.622 -2.167 3.006 1.00 0.00 C ATOM 93 C ILE A 5 -0.036 -0.844 3.366 1.00 0.00 C ATOM 94 O ILE A 5 -0.799 -0.757 4.334 1.00 0.00 O ATOM 95 CB ILE A 5 -0.274 -3.104 2.160 1.00 0.00 C ATOM 96 CG1 ILE A 5 0.590 -3.906 1.163 1.00 0.00 C ATOM 97 CG2 ILE A 5 -1.371 -2.385 1.353 1.00 0.00 C ATOM 98 CD1 ILE A 5 1.662 -4.772 1.828 1.00 0.00 C ATOM 0 H ILE A 5 0.175 -3.240 4.723 1.00 0.00 H new ATOM 0 HA ILE A 5 1.492 -1.971 2.379 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.770 -3.748 2.886 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.061 -4.545 0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.073 -3.212 0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.949 -3.119 0.791 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.031 -1.848 2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.911 -1.679 0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.227 -5.304 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.337 -4.138 2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.187 -5.492 2.494 1.00 0.00 H new ATOM 110 N GLU A 6 0.217 0.177 2.552 1.00 0.00 N ATOM 111 CA GLU A 6 -0.504 1.437 2.652 1.00 0.00 C ATOM 112 C GLU A 6 -0.757 1.988 1.243 1.00 0.00 C ATOM 113 O GLU A 6 -0.051 1.641 0.291 1.00 0.00 O ATOM 114 CB GLU A 6 0.245 2.444 3.546 1.00 0.00 C ATOM 115 CG GLU A 6 0.750 1.923 4.906 1.00 0.00 C ATOM 116 CD GLU A 6 1.206 3.030 5.861 1.00 0.00 C ATOM 117 OE1 GLU A 6 1.305 4.218 5.460 1.00 0.00 O ATOM 118 OE2 GLU A 6 1.473 2.721 7.044 1.00 0.00 O ATOM 0 H GLU A 6 0.920 0.153 1.813 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.467 1.264 3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.101 2.823 2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.415 3.291 3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.045 1.349 5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.580 1.237 4.736 1.00 0.00 H new ATOM 125 N LEU A 7 -1.768 2.846 1.101 1.00 0.00 N ATOM 126 CA LEU A 7 -2.330 3.286 -0.170 1.00 0.00 C ATOM 127 C LEU A 7 -2.491 4.810 -0.144 1.00 0.00 C ATOM 128 O LEU A 7 -3.555 5.304 0.239 1.00 0.00 O ATOM 129 CB LEU A 7 -3.681 2.560 -0.378 1.00 0.00 C ATOM 130 CG LEU A 7 -4.181 2.387 -1.821 1.00 0.00 C ATOM 131 CD1 LEU A 7 -3.996 3.634 -2.689 1.00 0.00 C ATOM 132 CD2 LEU A 7 -3.541 1.157 -2.469 1.00 0.00 C ATOM 0 H LEU A 7 -2.235 3.269 1.903 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.674 3.039 -1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.603 1.570 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.444 3.104 0.179 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.258 2.233 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.371 3.437 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.547 4.467 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.937 3.888 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.908 1.051 -3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.458 1.275 -2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.802 0.267 -1.896 1.00 0.00 H new ATOM 144 N PHE A 8 -1.460 5.561 -0.538 1.00 0.00 N ATOM 145 CA PHE A 8 -1.457 7.019 -0.482 1.00 0.00 C ATOM 146 C PHE A 8 -1.527 7.573 -1.912 1.00 0.00 C ATOM 147 O PHE A 8 -0.568 7.477 -2.672 1.00 0.00 O ATOM 148 CB PHE A 8 -0.254 7.487 0.362 1.00 0.00 C ATOM 149 CG PHE A 8 -0.181 8.975 0.631 1.00 0.00 C ATOM 150 CD1 PHE A 8 0.265 9.862 -0.365 1.00 0.00 C ATOM 151 CD2 PHE A 8 -0.546 9.483 1.890 1.00 0.00 C ATOM 152 CE1 PHE A 8 0.301 11.242 -0.116 1.00 0.00 C ATOM 153 CE2 PHE A 8 -0.528 10.865 2.130 1.00 0.00 C ATOM 154 CZ PHE A 8 -0.109 11.752 1.126 1.00 0.00 C ATOM 0 H PHE A 8 -0.596 5.166 -0.909 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.335 7.420 0.025 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.279 6.964 1.318 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.662 7.182 -0.144 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.581 9.480 -1.324 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.842 8.805 2.677 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.647 11.917 -0.885 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.838 11.248 3.091 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.102 12.817 1.307 1.00 0.00 H new ATOM 164 N THR A 9 -2.684 8.099 -2.329 1.00 0.00 N ATOM 165 CA THR A 9 -2.911 8.706 -3.653 1.00 0.00 C ATOM 166 C THR A 9 -4.358 9.222 -3.750 1.00 0.00 C ATOM 167 O THR A 9 -5.200 8.907 -2.908 1.00 0.00 O ATOM 168 CB THR A 9 -2.545 7.726 -4.808 1.00 0.00 C ATOM 169 OG1 THR A 9 -2.859 8.238 -6.090 1.00 0.00 O ATOM 170 CG2 THR A 9 -3.159 6.327 -4.679 1.00 0.00 C ATOM 0 H THR A 9 -3.516 8.116 -1.739 1.00 0.00 H new ATOM 0 HA THR A 9 -2.244 9.560 -3.767 1.00 0.00 H new ATOM 0 HB THR A 9 -1.464 7.628 -4.707 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.223 7.520 -6.649 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.850 5.715 -5.526 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.818 5.864 -3.753 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.246 6.407 -4.666 1.00 0.00 H new ATOM 178 N SER A 10 -4.661 9.995 -4.792 1.00 0.00 N ATOM 179 CA SER A 10 -5.984 10.447 -5.199 1.00 0.00 C ATOM 180 C SER A 10 -6.136 10.133 -6.699 1.00 0.00 C ATOM 181 O SER A 10 -5.966 11.013 -7.544 1.00 0.00 O ATOM 182 CB SER A 10 -6.136 11.938 -4.868 1.00 0.00 C ATOM 183 OG SER A 10 -4.987 12.649 -5.305 1.00 0.00 O ATOM 0 H SER A 10 -3.934 10.345 -5.416 1.00 0.00 H new ATOM 0 HA SER A 10 -6.782 9.934 -4.662 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.028 12.338 -5.351 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.269 12.069 -3.794 1.00 0.00 H new ATOM 0 HG SER A 10 -4.808 12.435 -6.244 1.00 0.00 H new ATOM 189 N PRO A 11 -6.393 8.870 -7.084 1.00 0.00 N ATOM 190 CA PRO A 11 -6.363 8.445 -8.482 1.00 0.00 C ATOM 191 C PRO A 11 -7.629 8.892 -9.240 1.00 0.00 C ATOM 192 O PRO A 11 -8.458 8.063 -9.620 1.00 0.00 O ATOM 193 CB PRO A 11 -6.163 6.923 -8.410 1.00 0.00 C ATOM 194 CG PRO A 11 -6.842 6.534 -7.097 1.00 0.00 C ATOM 195 CD PRO A 11 -6.542 7.726 -6.197 1.00 0.00 C ATOM 0 HA PRO A 11 -5.561 8.907 -9.059 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.618 6.418 -9.262 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.106 6.657 -8.409 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.914 6.383 -7.225 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.436 5.608 -6.690 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.349 7.889 -5.483 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.633 7.559 -5.619 1.00 0.00 H new ATOM 203 N MET A 12 -7.790 10.198 -9.485 1.00 0.00 N ATOM 204 CA MET A 12 -8.977 10.792 -10.103 1.00 0.00 C ATOM 205 C MET A 12 -9.298 10.159 -11.457 1.00 0.00 C ATOM 206 O MET A 12 -10.472 9.916 -11.742 1.00 0.00 O ATOM 207 CB MET A 12 -8.796 12.314 -10.239 1.00 0.00 C ATOM 208 CG MET A 12 -10.009 12.995 -10.890 1.00 0.00 C ATOM 209 SD MET A 12 -9.832 14.783 -11.108 1.00 0.00 S ATOM 210 CE MET A 12 -11.382 15.147 -11.975 1.00 0.00 C ATOM 0 H MET A 12 -7.077 10.889 -9.251 1.00 0.00 H new ATOM 0 HA MET A 12 -9.827 10.592 -9.450 1.00 0.00 H new ATOM 0 HB2 MET A 12 -8.627 12.746 -9.253 1.00 0.00 H new ATOM 0 HB3 MET A 12 -7.906 12.519 -10.834 1.00 0.00 H new ATOM 0 HG2 MET A 12 -10.188 12.538 -11.863 1.00 0.00 H new ATOM 0 HG3 MET A 12 -10.891 12.801 -10.279 1.00 0.00 H new ATOM 0 HE1 MET A 12 -11.437 16.214 -12.189 1.00 0.00 H new ATOM 0 HE2 MET A 12 -11.416 14.588 -12.910 1.00 0.00 H new ATOM 0 HE3 MET A 12 -12.226 14.858 -11.348 1.00 0.00 H new ATOM 220 N CYS A 13 -8.283 9.905 -12.289 1.00 0.00 N ATOM 221 CA CYS A 13 -8.482 9.316 -13.605 1.00 0.00 C ATOM 222 C CYS A 13 -8.664 7.790 -13.506 1.00 0.00 C ATOM 223 O CYS A 13 -9.792 7.343 -13.703 1.00 0.00 O ATOM 224 CB CYS A 13 -7.400 9.786 -14.589 1.00 0.00 C ATOM 225 SG CYS A 13 -7.439 11.598 -14.714 1.00 0.00 S ATOM 0 H CYS A 13 -7.308 10.103 -12.065 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.418 9.679 -14.030 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.418 9.455 -14.251 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.567 9.340 -15.569 1.00 0.00 H new ATOM 0 HG CYS A 13 -6.522 11.995 -15.545 1.00 0.00 H new ATOM 231 N PRO A 14 -7.641 6.960 -13.205 1.00 0.00 N ATOM 232 CA PRO A 14 -7.791 5.510 -13.322 1.00 0.00 C ATOM 233 C PRO A 14 -8.667 4.899 -12.223 1.00 0.00 C ATOM 234 O PRO A 14 -9.270 3.853 -12.451 1.00 0.00 O ATOM 235 CB PRO A 14 -6.368 4.943 -13.265 1.00 0.00 C ATOM 236 CG PRO A 14 -5.617 5.968 -12.418 1.00 0.00 C ATOM 237 CD PRO A 14 -6.266 7.286 -12.843 1.00 0.00 C ATOM 0 HA PRO A 14 -8.303 5.262 -14.252 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.347 3.952 -12.811 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.933 4.846 -14.260 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.739 5.781 -11.351 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.546 5.958 -12.623 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.238 8.014 -12.032 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.735 7.728 -13.686 1.00 0.00 H new ATOM 245 N HIS A 15 -8.752 5.525 -11.041 1.00 0.00 N ATOM 246 CA HIS A 15 -9.237 4.967 -9.775 1.00 0.00 C ATOM 247 C HIS A 15 -8.465 3.732 -9.325 1.00 0.00 C ATOM 248 O HIS A 15 -7.861 3.779 -8.256 1.00 0.00 O ATOM 249 CB HIS A 15 -10.761 4.758 -9.761 1.00 0.00 C ATOM 250 CG HIS A 15 -11.488 6.073 -9.852 1.00 0.00 C ATOM 251 ND1 HIS A 15 -11.877 6.860 -8.782 1.00 0.00 N ATOM 252 CD2 HIS A 15 -11.638 6.802 -10.998 1.00 0.00 C ATOM 253 CE1 HIS A 15 -12.234 8.063 -9.278 1.00 0.00 C ATOM 254 NE2 HIS A 15 -12.096 8.045 -10.619 1.00 0.00 N ATOM 0 H HIS A 15 -8.464 6.498 -10.939 1.00 0.00 H new ATOM 0 HA HIS A 15 -9.031 5.728 -9.022 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.052 4.120 -10.595 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.052 4.240 -8.847 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -11.437 6.469 -12.005 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -12.575 8.905 -8.694 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -12.297 8.822 -11.248 1.00 0.00 H new ATOM 263 N CYS A 16 -8.484 2.661 -10.119 1.00 0.00 N ATOM 264 CA CYS A 16 -8.196 1.292 -9.721 1.00 0.00 C ATOM 265 C CYS A 16 -9.163 0.843 -8.606 1.00 0.00 C ATOM 266 O CYS A 16 -9.872 1.656 -8.013 1.00 0.00 O ATOM 267 CB CYS A 16 -6.715 1.143 -9.318 1.00 0.00 C ATOM 268 SG CYS A 16 -5.613 1.630 -10.671 1.00 0.00 S ATOM 0 H CYS A 16 -8.714 2.735 -11.110 1.00 0.00 H new ATOM 0 HA CYS A 16 -8.358 0.630 -10.571 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.511 1.757 -8.441 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.515 0.109 -9.037 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.604 0.812 -10.725 1.00 0.00 H new ATOM 274 N PRO A 17 -9.196 -0.458 -8.279 1.00 0.00 N ATOM 275 CA PRO A 17 -9.759 -0.931 -7.016 1.00 0.00 C ATOM 276 C PRO A 17 -8.925 -0.486 -5.800 1.00 0.00 C ATOM 277 O PRO A 17 -9.418 -0.560 -4.675 1.00 0.00 O ATOM 278 CB PRO A 17 -9.819 -2.455 -7.150 1.00 0.00 C ATOM 279 CG PRO A 17 -8.755 -2.774 -8.203 1.00 0.00 C ATOM 280 CD PRO A 17 -8.781 -1.567 -9.123 1.00 0.00 C ATOM 0 HA PRO A 17 -10.746 -0.505 -6.836 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -9.604 -2.948 -6.202 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.807 -2.790 -7.466 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.773 -2.911 -7.750 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.988 -3.692 -8.742 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.800 -1.384 -9.561 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.476 -1.716 -9.949 1.00 0.00 H new ATOM 288 N ALA A 18 -7.691 -0.010 -6.021 1.00 0.00 N ATOM 289 CA ALA A 18 -6.746 0.473 -5.021 1.00 0.00 C ATOM 290 C ALA A 18 -6.753 -0.429 -3.783 1.00 0.00 C ATOM 291 O ALA A 18 -6.569 -1.639 -3.953 1.00 0.00 O ATOM 292 CB ALA A 18 -7.015 1.963 -4.754 1.00 0.00 C ATOM 0 H ALA A 18 -7.309 0.049 -6.965 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.721 0.412 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.312 2.331 -4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.890 2.527 -5.679 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.034 2.089 -4.387 1.00 0.00 H new ATOM 298 N ALA A 19 -6.970 0.112 -2.572 1.00 0.00 N ATOM 299 CA ALA A 19 -6.937 -0.665 -1.344 1.00 0.00 C ATOM 300 C ALA A 19 -7.751 -1.955 -1.419 1.00 0.00 C ATOM 301 O ALA A 19 -7.315 -2.926 -0.827 1.00 0.00 O ATOM 302 CB ALA A 19 -7.403 0.179 -0.160 1.00 0.00 C ATOM 0 H ALA A 19 -7.172 1.101 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.897 -0.958 -1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.371 -0.421 0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.747 1.043 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.424 0.519 -0.335 1.00 0.00 H new ATOM 308 N LYS A 20 -8.867 -2.053 -2.162 1.00 0.00 N ATOM 309 CA LYS A 20 -9.556 -3.346 -2.258 1.00 0.00 C ATOM 310 C LYS A 20 -8.621 -4.436 -2.770 1.00 0.00 C ATOM 311 O LYS A 20 -8.615 -5.522 -2.186 1.00 0.00 O ATOM 312 CB LYS A 20 -10.824 -3.294 -3.131 1.00 0.00 C ATOM 313 CG LYS A 20 -12.101 -2.948 -2.368 1.00 0.00 C ATOM 314 CD LYS A 20 -12.482 -3.952 -1.267 1.00 0.00 C ATOM 315 CE LYS A 20 -12.693 -5.419 -1.697 1.00 0.00 C ATOM 316 NZ LYS A 20 -11.446 -6.215 -1.818 1.00 0.00 N ATOM 0 H LYS A 20 -9.295 -1.287 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.870 -3.588 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.677 -2.558 -3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.956 -4.261 -3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.983 -1.962 -1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.925 -2.878 -3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.702 -3.931 -0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.399 -3.603 -0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.349 -5.904 -0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.210 -5.431 -2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.324 -6.521 -2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.633 -5.632 -1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.506 -7.050 -1.201 1.00 0.00 H new ATOM 330 N ARG A 21 -7.873 -4.174 -3.842 1.00 0.00 N ATOM 331 CA ARG A 21 -6.984 -5.186 -4.385 1.00 0.00 C ATOM 332 C ARG A 21 -5.696 -5.293 -3.613 1.00 0.00 C ATOM 333 O ARG A 21 -5.229 -6.417 -3.496 1.00 0.00 O ATOM 334 CB ARG A 21 -6.681 -4.975 -5.870 1.00 0.00 C ATOM 335 CG ARG A 21 -7.766 -5.695 -6.706 1.00 0.00 C ATOM 336 CD ARG A 21 -7.314 -6.301 -8.041 1.00 0.00 C ATOM 337 NE ARG A 21 -6.052 -7.054 -7.948 1.00 0.00 N ATOM 338 CZ ARG A 21 -5.656 -7.966 -7.050 1.00 0.00 C ATOM 339 NH1 ARG A 21 -6.487 -8.575 -6.203 1.00 0.00 N ATOM 340 NH2 ARG A 21 -4.358 -8.241 -7.009 1.00 0.00 N ATOM 0 H ARG A 21 -7.868 -3.284 -4.340 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.527 -6.125 -4.282 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.667 -3.911 -6.105 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.694 -5.368 -6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.192 -6.492 -6.097 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.568 -4.985 -6.908 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.096 -6.963 -8.414 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.198 -5.502 -8.773 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.374 -6.849 -8.682 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.483 -8.354 -6.218 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.127 -9.262 -5.541 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.716 -7.765 -7.643 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.003 -8.928 -6.344 1.00 0.00 H new ATOM 354 N VAL A 22 -5.130 -4.199 -3.102 1.00 0.00 N ATOM 355 CA VAL A 22 -3.902 -4.337 -2.322 1.00 0.00 C ATOM 356 C VAL A 22 -4.233 -5.118 -1.015 1.00 0.00 C ATOM 357 O VAL A 22 -3.465 -5.974 -0.585 1.00 0.00 O ATOM 358 CB VAL A 22 -3.165 -2.979 -2.189 1.00 0.00 C ATOM 359 CG1 VAL A 22 -1.670 -3.163 -1.910 1.00 0.00 C ATOM 360 CG2 VAL A 22 -3.183 -2.153 -3.499 1.00 0.00 C ATOM 0 H VAL A 22 -5.483 -3.248 -3.207 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.153 -4.945 -2.829 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.694 -2.479 -1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.193 -2.187 -1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.539 -3.714 -0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.213 -3.719 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.652 -1.214 -3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.695 -2.719 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.214 -1.944 -3.783 1.00 0.00 H new ATOM 370 N VAL A 23 -5.451 -4.979 -0.463 1.00 0.00 N ATOM 371 CA VAL A 23 -5.980 -5.861 0.580 1.00 0.00 C ATOM 372 C VAL A 23 -6.040 -7.304 0.082 1.00 0.00 C ATOM 373 O VAL A 23 -5.499 -8.167 0.756 1.00 0.00 O ATOM 374 CB VAL A 23 -7.359 -5.379 1.096 1.00 0.00 C ATOM 375 CG1 VAL A 23 -8.080 -6.402 1.993 1.00 0.00 C ATOM 376 CG2 VAL A 23 -7.271 -4.078 1.902 1.00 0.00 C ATOM 0 H VAL A 23 -6.100 -4.241 -0.735 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.296 -5.823 1.428 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.927 -5.229 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.038 -5.993 2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.248 -7.322 1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.465 -6.617 2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.267 -3.790 2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.627 -4.229 2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.857 -3.289 1.275 1.00 0.00 H new ATOM 386 N GLU A 24 -6.715 -7.606 -1.036 1.00 0.00 N ATOM 387 CA GLU A 24 -6.823 -8.991 -1.524 1.00 0.00 C ATOM 388 C GLU A 24 -5.433 -9.623 -1.697 1.00 0.00 C ATOM 389 O GLU A 24 -5.216 -10.795 -1.372 1.00 0.00 O ATOM 390 CB GLU A 24 -7.544 -9.012 -2.880 1.00 0.00 C ATOM 391 CG GLU A 24 -9.050 -8.714 -2.826 1.00 0.00 C ATOM 392 CD GLU A 24 -9.549 -8.082 -4.135 1.00 0.00 C ATOM 393 OE1 GLU A 24 -9.074 -8.492 -5.219 1.00 0.00 O ATOM 394 OE2 GLU A 24 -10.381 -7.146 -4.037 1.00 0.00 O ATOM 0 H GLU A 24 -7.192 -6.916 -1.617 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.387 -9.563 -0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.069 -8.283 -3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.400 -9.992 -3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.597 -9.637 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.259 -8.042 -1.994 1.00 0.00 H new ATOM 401 N GLU A 25 -4.514 -8.833 -2.249 1.00 0.00 N ATOM 402 CA GLU A 25 -3.117 -9.129 -2.481 1.00 0.00 C ATOM 403 C GLU A 25 -2.475 -9.620 -1.189 1.00 0.00 C ATOM 404 O GLU A 25 -2.202 -10.820 -1.100 1.00 0.00 O ATOM 405 CB GLU A 25 -2.466 -7.901 -3.132 1.00 0.00 C ATOM 406 CG GLU A 25 -0.930 -7.860 -3.114 1.00 0.00 C ATOM 407 CD GLU A 25 -0.416 -6.498 -2.659 1.00 0.00 C ATOM 408 OE1 GLU A 25 -0.226 -5.629 -3.533 1.00 0.00 O ATOM 409 OE2 GLU A 25 -0.206 -6.334 -1.443 1.00 0.00 O ATOM 0 H GLU A 25 -4.756 -7.895 -2.569 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.972 -9.950 -3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.798 -7.846 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.839 -7.008 -2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.551 -8.635 -2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.547 -8.081 -4.110 1.00 0.00 H new ATOM 416 N VAL A 26 -2.246 -8.759 -0.194 1.00 0.00 N ATOM 417 CA VAL A 26 -1.540 -9.240 0.993 1.00 0.00 C ATOM 418 C VAL A 26 -2.414 -10.086 1.915 1.00 0.00 C ATOM 419 O VAL A 26 -1.866 -10.884 2.670 1.00 0.00 O ATOM 420 CB VAL A 26 -0.844 -8.123 1.782 1.00 0.00 C ATOM 421 CG1 VAL A 26 0.640 -8.080 1.420 1.00 0.00 C ATOM 422 CG2 VAL A 26 -1.531 -6.756 1.703 1.00 0.00 C ATOM 0 H VAL A 26 -2.522 -7.777 -0.182 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.761 -9.891 0.596 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.935 -8.376 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.129 -7.285 1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.102 -9.036 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.749 -7.888 0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.968 -6.031 2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.571 -6.428 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.544 -6.835 2.098 1.00 0.00 H new ATOM 432 N ALA A 27 -3.743 -9.994 1.871 1.00 0.00 N ATOM 433 CA ALA A 27 -4.570 -10.885 2.673 1.00 0.00 C ATOM 434 C ALA A 27 -4.440 -12.328 2.157 1.00 0.00 C ATOM 435 O ALA A 27 -4.552 -13.252 2.959 1.00 0.00 O ATOM 436 CB ALA A 27 -6.039 -10.456 2.650 1.00 0.00 C ATOM 0 H ALA A 27 -4.259 -9.325 1.300 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.219 -10.832 3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.628 -11.142 3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.130 -9.446 3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.407 -10.473 1.624 1.00 0.00 H new ATOM 442 N ASN A 28 -4.175 -12.544 0.854 1.00 0.00 N ATOM 443 CA ASN A 28 -3.820 -13.881 0.348 1.00 0.00 C ATOM 444 C ASN A 28 -2.574 -14.456 1.031 1.00 0.00 C ATOM 445 O ASN A 28 -2.414 -15.675 1.114 1.00 0.00 O ATOM 446 CB ASN A 28 -3.564 -13.852 -1.166 1.00 0.00 C ATOM 447 CG ASN A 28 -3.206 -15.235 -1.703 1.00 0.00 C ATOM 448 OD1 ASN A 28 -4.008 -16.160 -1.650 1.00 0.00 O ATOM 449 ND2 ASN A 28 -2.011 -15.428 -2.236 1.00 0.00 N ATOM 0 H ASN A 28 -4.200 -11.816 0.140 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.674 -14.519 0.576 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.452 -13.481 -1.678 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.755 -13.155 -1.385 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.758 -16.346 -2.602 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.342 -14.659 -2.281 1.00 0.00 H new ATOM 456 N GLU A 29 -1.661 -13.607 1.495 1.00 0.00 N ATOM 457 CA GLU A 29 -0.499 -14.011 2.271 1.00 0.00 C ATOM 458 C GLU A 29 -0.908 -14.163 3.735 1.00 0.00 C ATOM 459 O GLU A 29 -0.879 -15.268 4.281 1.00 0.00 O ATOM 460 CB GLU A 29 0.630 -12.985 2.099 1.00 0.00 C ATOM 461 CG GLU A 29 1.251 -12.990 0.695 1.00 0.00 C ATOM 462 CD GLU A 29 2.337 -14.059 0.598 1.00 0.00 C ATOM 463 OE1 GLU A 29 1.997 -15.239 0.343 1.00 0.00 O ATOM 464 OE2 GLU A 29 3.513 -13.747 0.907 1.00 0.00 O ATOM 0 H GLU A 29 -1.712 -12.601 1.338 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.123 -14.971 1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.241 -11.989 2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.410 -13.187 2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.479 -13.178 -0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.675 -12.010 0.474 1.00 0.00 H new ATOM 471 N MET A 30 -1.308 -13.062 4.368 1.00 0.00 N ATOM 472 CA MET A 30 -1.463 -12.945 5.806 1.00 0.00 C ATOM 473 C MET A 30 -2.820 -12.333 6.147 1.00 0.00 C ATOM 474 O MET A 30 -2.923 -11.127 6.376 1.00 0.00 O ATOM 475 CB MET A 30 -0.278 -12.161 6.381 1.00 0.00 C ATOM 476 CG MET A 30 0.806 -13.143 6.813 1.00 0.00 C ATOM 477 SD MET A 30 0.420 -14.009 8.357 1.00 0.00 S ATOM 478 CE MET A 30 1.936 -14.980 8.496 1.00 0.00 C ATOM 0 H MET A 30 -1.539 -12.201 3.872 1.00 0.00 H new ATOM 0 HA MET A 30 -1.453 -13.931 6.271 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.115 -11.472 5.634 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.601 -11.560 7.231 1.00 0.00 H new ATOM 0 HG2 MET A 30 0.957 -13.877 6.022 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.746 -12.605 6.932 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.895 -15.592 9.397 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.036 -15.626 7.624 1.00 0.00 H new ATOM 0 HE3 MET A 30 2.794 -14.310 8.551 1.00 0.00 H new ATOM 488 N PRO A 31 -3.873 -13.157 6.237 1.00 0.00 N ATOM 489 CA PRO A 31 -5.122 -12.786 6.873 1.00 0.00 C ATOM 490 C PRO A 31 -4.907 -12.831 8.396 1.00 0.00 C ATOM 491 O PRO A 31 -5.385 -13.743 9.071 1.00 0.00 O ATOM 492 CB PRO A 31 -6.129 -13.810 6.335 1.00 0.00 C ATOM 493 CG PRO A 31 -5.295 -15.081 6.144 1.00 0.00 C ATOM 494 CD PRO A 31 -3.880 -14.565 5.875 1.00 0.00 C ATOM 0 HA PRO A 31 -5.486 -11.780 6.662 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.948 -13.971 7.036 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.573 -13.479 5.396 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.326 -15.715 7.030 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.666 -15.679 5.312 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.148 -15.119 6.462 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.613 -14.696 4.826 1.00 0.00 H new ATOM 502 N ASP A 32 -4.113 -11.893 8.919 1.00 0.00 N ATOM 503 CA ASP A 32 -3.844 -11.625 10.332 1.00 0.00 C ATOM 504 C ASP A 32 -2.888 -10.438 10.385 1.00 0.00 C ATOM 505 O ASP A 32 -3.210 -9.381 10.926 1.00 0.00 O ATOM 506 CB ASP A 32 -3.191 -12.814 11.070 1.00 0.00 C ATOM 507 CG ASP A 32 -2.661 -12.379 12.443 1.00 0.00 C ATOM 508 OD1 ASP A 32 -3.453 -11.868 13.263 1.00 0.00 O ATOM 509 OD2 ASP A 32 -1.442 -12.506 12.712 1.00 0.00 O ATOM 0 H ASP A 32 -3.601 -11.250 8.315 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.795 -11.433 10.829 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.919 -13.615 11.194 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.374 -13.216 10.470 1.00 0.00 H new ATOM 514 N ALA A 33 -1.690 -10.627 9.830 1.00 0.00 N ATOM 515 CA ALA A 33 -0.525 -9.805 10.114 1.00 0.00 C ATOM 516 C ALA A 33 -0.395 -8.569 9.220 1.00 0.00 C ATOM 517 O ALA A 33 0.621 -7.880 9.304 1.00 0.00 O ATOM 518 CB ALA A 33 0.716 -10.690 9.983 1.00 0.00 C ATOM 0 H ALA A 33 -1.504 -11.372 9.158 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.636 -9.412 11.125 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.608 -10.099 10.191 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.652 -11.513 10.694 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.773 -11.089 8.970 1.00 0.00 H new ATOM 524 N VAL A 34 -1.365 -8.303 8.347 1.00 0.00 N ATOM 525 CA VAL A 34 -1.265 -7.318 7.279 1.00 0.00 C ATOM 526 C VAL A 34 -2.058 -6.062 7.662 1.00 0.00 C ATOM 527 O VAL A 34 -3.280 -6.132 7.827 1.00 0.00 O ATOM 528 CB VAL A 34 -1.658 -8.000 5.937 1.00 0.00 C ATOM 529 CG1 VAL A 34 -2.221 -7.043 4.898 1.00 0.00 C ATOM 530 CG2 VAL A 34 -0.439 -8.752 5.396 1.00 0.00 C ATOM 0 H VAL A 34 -2.266 -8.781 8.366 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.246 -6.958 7.133 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.473 -8.693 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.470 -7.595 3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.119 -6.566 5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.478 -6.280 4.665 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.698 -9.236 4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.378 -8.049 5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.127 -9.507 6.118 1.00 0.00 H new ATOM 540 N GLU A 35 -1.368 -4.928 7.845 1.00 0.00 N ATOM 541 CA GLU A 35 -1.996 -3.604 7.759 1.00 0.00 C ATOM 542 C GLU A 35 -2.185 -3.270 6.281 1.00 0.00 C ATOM 543 O GLU A 35 -1.418 -3.750 5.445 1.00 0.00 O ATOM 544 CB GLU A 35 -1.141 -2.500 8.406 1.00 0.00 C ATOM 545 CG GLU A 35 -0.931 -2.652 9.915 1.00 0.00 C ATOM 546 CD GLU A 35 -2.219 -2.708 10.746 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.313 -2.313 10.282 1.00 0.00 O ATOM 548 OE2 GLU A 35 -2.145 -3.195 11.898 1.00 0.00 O ATOM 0 H GLU A 35 -0.370 -4.902 8.054 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.943 -3.642 8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.167 -2.482 7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.612 -1.536 8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.359 -3.562 10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.325 -1.818 10.268 1.00 0.00 H new ATOM 555 N VAL A 36 -3.187 -2.450 5.974 1.00 0.00 N ATOM 556 CA VAL A 36 -3.696 -2.165 4.637 1.00 0.00 C ATOM 557 C VAL A 36 -4.305 -0.756 4.651 1.00 0.00 C ATOM 558 O VAL A 36 -5.483 -0.561 4.335 1.00 0.00 O ATOM 559 CB VAL A 36 -4.705 -3.256 4.193 1.00 0.00 C ATOM 560 CG1 VAL A 36 -4.005 -4.383 3.423 1.00 0.00 C ATOM 561 CG2 VAL A 36 -5.521 -3.854 5.362 1.00 0.00 C ATOM 0 H VAL A 36 -3.694 -1.937 6.695 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.892 -2.187 3.901 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.410 -2.747 3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.740 -5.132 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.525 -3.973 2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.252 -4.846 4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.206 -4.610 4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.843 -4.311 6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.090 -3.063 5.850 1.00 0.00 H new ATOM 571 N GLU A 37 -3.513 0.250 5.018 1.00 0.00 N ATOM 572 CA GLU A 37 -4.024 1.604 5.215 1.00 0.00 C ATOM 573 C GLU A 37 -4.529 2.158 3.876 1.00 0.00 C ATOM 574 O GLU A 37 -3.846 2.001 2.858 1.00 0.00 O ATOM 575 CB GLU A 37 -2.915 2.501 5.781 1.00 0.00 C ATOM 576 CG GLU A 37 -2.415 2.105 7.176 1.00 0.00 C ATOM 577 CD GLU A 37 -3.446 2.467 8.239 1.00 0.00 C ATOM 578 OE1 GLU A 37 -4.361 1.659 8.521 1.00 0.00 O ATOM 579 OE2 GLU A 37 -3.384 3.591 8.782 1.00 0.00 O ATOM 0 H GLU A 37 -2.512 0.152 5.185 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.851 1.583 5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.071 2.490 5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.281 3.527 5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.215 1.034 7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.473 2.611 7.388 1.00 0.00 H new ATOM 586 N TYR A 38 -5.690 2.821 3.848 1.00 0.00 N ATOM 587 CA TYR A 38 -6.187 3.534 2.670 1.00 0.00 C ATOM 588 C TYR A 38 -6.238 5.010 3.041 1.00 0.00 C ATOM 589 O TYR A 38 -7.121 5.426 3.786 1.00 0.00 O ATOM 590 CB TYR A 38 -7.541 3.007 2.173 1.00 0.00 C ATOM 591 CG TYR A 38 -7.993 3.514 0.799 1.00 0.00 C ATOM 592 CD1 TYR A 38 -7.178 4.325 -0.028 1.00 0.00 C ATOM 593 CD2 TYR A 38 -9.266 3.136 0.329 1.00 0.00 C ATOM 594 CE1 TYR A 38 -7.622 4.743 -1.293 1.00 0.00 C ATOM 595 CE2 TYR A 38 -9.715 3.539 -0.943 1.00 0.00 C ATOM 596 CZ TYR A 38 -8.893 4.346 -1.759 1.00 0.00 C ATOM 597 OH TYR A 38 -9.325 4.739 -2.988 1.00 0.00 O ATOM 0 H TYR A 38 -6.316 2.877 4.651 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.516 3.372 1.826 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.495 1.918 2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.303 3.272 2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.201 4.626 0.319 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.906 2.529 0.953 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.991 5.368 -1.908 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.689 3.231 -1.295 1.00 0.00 H new ATOM 0 HH TYR A 38 -10.221 4.376 -3.151 1.00 0.00 H new ATOM 607 N ILE A 39 -5.263 5.786 2.571 1.00 0.00 N ATOM 608 CA ILE A 39 -5.019 7.145 3.046 1.00 0.00 C ATOM 609 C ILE A 39 -5.010 8.095 1.848 1.00 0.00 C ATOM 610 O ILE A 39 -3.969 8.468 1.309 1.00 0.00 O ATOM 611 CB ILE A 39 -3.773 7.197 3.961 1.00 0.00 C ATOM 612 CG1 ILE A 39 -2.461 6.668 3.344 1.00 0.00 C ATOM 613 CG2 ILE A 39 -4.071 6.509 5.306 1.00 0.00 C ATOM 614 CD1 ILE A 39 -2.193 5.169 3.416 1.00 0.00 C ATOM 0 H ILE A 39 -4.615 5.485 1.843 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.825 7.490 3.693 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.581 8.259 4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.443 6.961 2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.632 7.180 3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.186 6.552 5.941 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.898 7.019 5.800 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.341 5.468 5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.236 4.947 2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.163 4.854 4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.987 4.632 2.898 1.00 0.00 H new ATOM 626 N ASN A 40 -6.205 8.427 1.359 1.00 0.00 N ATOM 627 CA ASN A 40 -6.338 9.204 0.133 1.00 0.00 C ATOM 628 C ASN A 40 -5.714 10.596 0.252 1.00 0.00 C ATOM 629 O ASN A 40 -5.751 11.222 1.307 1.00 0.00 O ATOM 630 CB ASN A 40 -7.796 9.279 -0.344 1.00 0.00 C ATOM 631 CG ASN A 40 -8.762 10.136 0.480 1.00 0.00 C ATOM 632 OD1 ASN A 40 -9.830 10.457 -0.022 1.00 0.00 O ATOM 633 ND2 ASN A 40 -8.488 10.480 1.729 1.00 0.00 N ATOM 0 H ASN A 40 -7.091 8.169 1.794 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.773 8.670 -0.631 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.797 9.658 -1.366 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.192 8.264 -0.379 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.168 11.013 2.272 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.597 10.212 2.148 1.00 0.00 H new ATOM 640 N VAL A 41 -5.176 11.106 -0.854 1.00 0.00 N ATOM 641 CA VAL A 41 -4.672 12.471 -0.935 1.00 0.00 C ATOM 642 C VAL A 41 -5.890 13.402 -0.915 1.00 0.00 C ATOM 643 O VAL A 41 -6.528 13.648 -1.943 1.00 0.00 O ATOM 644 CB VAL A 41 -3.728 12.601 -2.147 1.00 0.00 C ATOM 645 CG1 VAL A 41 -3.440 14.041 -2.594 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.392 11.922 -1.822 1.00 0.00 C ATOM 0 H VAL A 41 -5.078 10.580 -1.722 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.049 12.760 -0.089 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.250 12.120 -2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.767 14.028 -3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.374 14.529 -2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.974 14.590 -1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.721 12.011 -2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.941 12.403 -0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.563 10.868 -1.604 1.00 0.00 H new ATOM 656 N MET A 42 -6.255 13.859 0.280 1.00 0.00 N ATOM 657 CA MET A 42 -7.394 14.720 0.559 1.00 0.00 C ATOM 658 C MET A 42 -7.067 15.511 1.819 1.00 0.00 C ATOM 659 O MET A 42 -6.956 16.732 1.756 1.00 0.00 O ATOM 660 CB MET A 42 -8.682 13.895 0.719 1.00 0.00 C ATOM 661 CG MET A 42 -9.907 14.810 0.845 1.00 0.00 C ATOM 662 SD MET A 42 -11.425 13.979 1.384 1.00 0.00 S ATOM 663 CE MET A 42 -11.106 13.870 3.168 1.00 0.00 C ATOM 0 H MET A 42 -5.733 13.624 1.124 1.00 0.00 H new ATOM 0 HA MET A 42 -7.574 15.403 -0.271 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.804 13.234 -0.139 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.605 13.261 1.602 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.676 15.608 1.551 1.00 0.00 H new ATOM 0 HG3 MET A 42 -10.091 15.282 -0.120 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.947 13.381 3.659 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.199 13.291 3.341 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.980 14.872 3.577 1.00 0.00 H new ATOM 673 N GLU A 43 -6.889 14.820 2.948 1.00 0.00 N ATOM 674 CA GLU A 43 -6.554 15.436 4.231 1.00 0.00 C ATOM 675 C GLU A 43 -5.620 14.535 5.059 1.00 0.00 C ATOM 676 O GLU A 43 -5.422 14.748 6.258 1.00 0.00 O ATOM 677 CB GLU A 43 -7.848 15.755 5.006 1.00 0.00 C ATOM 678 CG GLU A 43 -7.640 17.002 5.879 1.00 0.00 C ATOM 679 CD GLU A 43 -8.459 16.994 7.173 1.00 0.00 C ATOM 680 OE1 GLU A 43 -9.637 16.583 7.163 1.00 0.00 O ATOM 681 OE2 GLU A 43 -7.891 17.376 8.227 1.00 0.00 O ATOM 0 H GLU A 43 -6.975 13.805 2.996 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.017 16.366 4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.669 15.922 4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.127 14.906 5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.583 17.086 6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.902 17.887 5.300 1.00 0.00 H new ATOM 688 N ASN A 44 -5.074 13.485 4.446 1.00 0.00 N ATOM 689 CA ASN A 44 -4.199 12.529 5.119 1.00 0.00 C ATOM 690 C ASN A 44 -2.806 13.145 5.304 1.00 0.00 C ATOM 691 O ASN A 44 -2.390 13.950 4.460 1.00 0.00 O ATOM 692 CB ASN A 44 -4.152 11.208 4.333 1.00 0.00 C ATOM 693 CG ASN A 44 -5.388 10.366 4.639 1.00 0.00 C ATOM 694 OD1 ASN A 44 -6.371 10.348 3.906 1.00 0.00 O ATOM 695 ND2 ASN A 44 -5.378 9.652 5.748 1.00 0.00 N ATOM 0 H ASN A 44 -5.229 13.273 3.460 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.593 12.300 6.109 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.100 11.415 3.264 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.251 10.653 4.595 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.188 9.084 5.996 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.560 9.667 6.357 1.00 0.00 H new ATOM 702 N PRO A 45 -2.065 12.791 6.371 1.00 0.00 N ATOM 703 CA PRO A 45 -0.730 13.324 6.628 1.00 0.00 C ATOM 704 C PRO A 45 0.237 12.882 5.534 1.00 0.00 C ATOM 705 O PRO A 45 0.235 11.718 5.137 1.00 0.00 O ATOM 706 CB PRO A 45 -0.300 12.768 7.992 1.00 0.00 C ATOM 707 CG PRO A 45 -1.175 11.532 8.172 1.00 0.00 C ATOM 708 CD PRO A 45 -2.462 11.881 7.434 1.00 0.00 C ATOM 0 HA PRO A 45 -0.730 14.414 6.632 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.760 12.513 8.004 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.463 13.493 8.789 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.703 10.644 7.752 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.362 11.326 9.226 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.937 10.987 7.029 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.183 12.350 8.103 1.00 0.00 H new ATOM 716 N GLN A 46 1.124 13.776 5.099 1.00 0.00 N ATOM 717 CA GLN A 46 2.098 13.569 4.027 1.00 0.00 C ATOM 718 C GLN A 46 3.218 12.571 4.398 1.00 0.00 C ATOM 719 O GLN A 46 4.260 12.546 3.745 1.00 0.00 O ATOM 720 CB GLN A 46 2.668 14.941 3.606 1.00 0.00 C ATOM 721 CG GLN A 46 1.711 15.771 2.733 1.00 0.00 C ATOM 722 CD GLN A 46 0.449 16.267 3.442 1.00 0.00 C ATOM 723 OE1 GLN A 46 0.464 16.660 4.609 1.00 0.00 O ATOM 724 NE2 GLN A 46 -0.677 16.281 2.757 1.00 0.00 N ATOM 0 H GLN A 46 1.186 14.710 5.504 1.00 0.00 H new ATOM 0 HA GLN A 46 1.583 13.107 3.185 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.915 15.511 4.501 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.599 14.785 3.061 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.254 16.633 2.345 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.414 15.169 1.874 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.690 15.956 1.790 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.535 16.617 3.194 1.00 0.00 H new ATOM 733 N LYS A 47 3.030 11.719 5.411 1.00 0.00 N ATOM 734 CA LYS A 47 4.068 10.883 6.011 1.00 0.00 C ATOM 735 C LYS A 47 4.859 10.040 5.015 1.00 0.00 C ATOM 736 O LYS A 47 6.025 9.753 5.269 1.00 0.00 O ATOM 737 CB LYS A 47 3.475 10.005 7.127 1.00 0.00 C ATOM 738 CG LYS A 47 2.830 8.686 6.679 1.00 0.00 C ATOM 739 CD LYS A 47 1.571 8.848 5.819 1.00 0.00 C ATOM 740 CE LYS A 47 0.987 7.497 5.411 1.00 0.00 C ATOM 741 NZ LYS A 47 0.543 6.669 6.556 1.00 0.00 N ATOM 0 H LYS A 47 2.118 11.590 5.849 1.00 0.00 H new ATOM 0 HA LYS A 47 4.794 11.576 6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.267 9.775 7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.726 10.589 7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.565 8.110 6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.576 8.102 7.564 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.823 9.415 6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.812 9.425 4.926 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.140 7.664 4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.736 6.944 4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.915 5.703 6.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.898 7.082 7.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.496 6.639 6.581 1.00 0.00 H new ATOM 755 N ALA A 48 4.218 9.564 3.939 1.00 0.00 N ATOM 756 CA ALA A 48 4.889 8.834 2.875 1.00 0.00 C ATOM 757 C ALA A 48 5.363 9.746 1.741 1.00 0.00 C ATOM 758 O ALA A 48 6.298 9.425 1.013 1.00 0.00 O ATOM 759 CB ALA A 48 3.999 7.730 2.334 1.00 0.00 C ATOM 0 H ALA A 48 3.216 9.679 3.789 1.00 0.00 H new ATOM 0 HA ALA A 48 5.780 8.387 3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.522 7.198 1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.754 7.034 3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.081 8.164 1.937 1.00 0.00 H new ATOM 765 N MET A 49 4.679 10.869 1.564 1.00 0.00 N ATOM 766 CA MET A 49 4.980 11.896 0.576 1.00 0.00 C ATOM 767 C MET A 49 6.285 12.632 0.874 1.00 0.00 C ATOM 768 O MET A 49 6.890 13.153 -0.053 1.00 0.00 O ATOM 769 CB MET A 49 3.819 12.907 0.498 1.00 0.00 C ATOM 770 CG MET A 49 3.141 12.826 -0.864 1.00 0.00 C ATOM 771 SD MET A 49 4.168 13.333 -2.262 1.00 0.00 S ATOM 772 CE MET A 49 3.359 12.336 -3.531 1.00 0.00 C ATOM 0 H MET A 49 3.863 11.099 2.131 1.00 0.00 H new ATOM 0 HA MET A 49 5.103 11.392 -0.383 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.094 12.701 1.286 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.194 13.916 0.666 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.812 11.800 -1.028 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.247 13.449 -0.845 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.789 12.569 -4.505 1.00 0.00 H new ATOM 0 HE2 MET A 49 3.507 11.279 -3.312 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.292 12.558 -3.543 1.00 0.00 H new ATOM 782 N GLU A 50 6.729 12.705 2.130 1.00 0.00 N ATOM 783 CA GLU A 50 7.958 13.413 2.506 1.00 0.00 C ATOM 784 C GLU A 50 9.236 12.754 1.966 1.00 0.00 C ATOM 785 O GLU A 50 10.303 13.373 1.955 1.00 0.00 O ATOM 786 CB GLU A 50 8.020 13.535 4.036 1.00 0.00 C ATOM 787 CG GLU A 50 8.251 12.183 4.731 1.00 0.00 C ATOM 788 CD GLU A 50 8.128 12.310 6.258 1.00 0.00 C ATOM 789 OE1 GLU A 50 7.022 12.608 6.775 1.00 0.00 O ATOM 790 OE2 GLU A 50 9.152 12.136 6.963 1.00 0.00 O ATOM 0 H GLU A 50 6.246 12.274 2.919 1.00 0.00 H new ATOM 0 HA GLU A 50 7.917 14.400 2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.822 14.221 4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.090 13.971 4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.526 11.455 4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.240 11.804 4.474 1.00 0.00 H new ATOM 797 N TYR A 51 9.144 11.490 1.559 1.00 0.00 N ATOM 798 CA TYR A 51 10.233 10.688 1.028 1.00 0.00 C ATOM 799 C TYR A 51 10.679 11.259 -0.320 1.00 0.00 C ATOM 800 O TYR A 51 9.825 11.655 -1.106 1.00 0.00 O ATOM 801 CB TYR A 51 9.681 9.299 0.743 1.00 0.00 C ATOM 802 CG TYR A 51 9.421 8.328 1.886 1.00 0.00 C ATOM 803 CD1 TYR A 51 8.526 8.619 2.936 1.00 0.00 C ATOM 804 CD2 TYR A 51 9.945 7.028 1.784 1.00 0.00 C ATOM 805 CE1 TYR A 51 8.121 7.611 3.833 1.00 0.00 C ATOM 806 CE2 TYR A 51 9.525 6.017 2.661 1.00 0.00 C ATOM 807 CZ TYR A 51 8.613 6.298 3.696 1.00 0.00 C ATOM 808 OH TYR A 51 8.178 5.309 4.522 1.00 0.00 O ATOM 0 H TYR A 51 8.263 10.976 1.594 1.00 0.00 H new ATOM 0 HA TYR A 51 11.061 10.676 1.737 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.740 9.429 0.209 1.00 0.00 H new ATOM 0 HB3 TYR A 51 10.373 8.811 0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.148 9.624 3.054 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.678 6.805 1.023 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.430 7.846 4.629 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.905 5.013 2.541 1.00 0.00 H new ATOM 0 HH TYR A 51 8.621 4.467 4.286 1.00 0.00 H new ATOM 818 N GLY A 52 11.973 11.194 -0.639 1.00 0.00 N ATOM 819 CA GLY A 52 12.586 11.899 -1.763 1.00 0.00 C ATOM 820 C GLY A 52 11.940 11.716 -3.136 1.00 0.00 C ATOM 821 O GLY A 52 12.023 12.641 -3.943 1.00 0.00 O ATOM 0 H GLY A 52 12.640 10.634 -0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.592 12.964 -1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.627 11.582 -1.834 1.00 0.00 H new ATOM 825 N ILE A 53 11.310 10.570 -3.412 1.00 0.00 N ATOM 826 CA ILE A 53 10.535 10.332 -4.630 1.00 0.00 C ATOM 827 C ILE A 53 9.464 11.415 -4.828 1.00 0.00 C ATOM 828 O ILE A 53 9.277 11.892 -5.945 1.00 0.00 O ATOM 829 CB ILE A 53 9.946 8.893 -4.619 1.00 0.00 C ATOM 830 CG1 ILE A 53 8.990 8.615 -5.803 1.00 0.00 C ATOM 831 CG2 ILE A 53 9.203 8.528 -3.318 1.00 0.00 C ATOM 832 CD1 ILE A 53 9.700 8.635 -7.161 1.00 0.00 C ATOM 0 H ILE A 53 11.326 9.768 -2.782 1.00 0.00 H new ATOM 0 HA ILE A 53 11.198 10.402 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 53 10.834 8.266 -4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.517 7.644 -5.661 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.195 9.360 -5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.822 7.509 -3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 53 9.889 8.600 -2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.371 9.216 -3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.978 8.434 -7.952 1.00 0.00 H new ATOM 0 HD12 ILE A 53 10.150 9.614 -7.322 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.477 7.871 -7.176 1.00 0.00 H new ATOM 844 N MET A 54 8.746 11.766 -3.756 1.00 0.00 N ATOM 845 CA MET A 54 7.618 12.694 -3.701 1.00 0.00 C ATOM 846 C MET A 54 6.628 12.556 -4.875 1.00 0.00 C ATOM 847 O MET A 54 6.010 13.541 -5.291 1.00 0.00 O ATOM 848 CB MET A 54 8.124 14.135 -3.500 1.00 0.00 C ATOM 849 CG MET A 54 9.070 14.274 -2.298 1.00 0.00 C ATOM 850 SD MET A 54 9.357 15.967 -1.710 1.00 0.00 S ATOM 851 CE MET A 54 10.106 16.702 -3.186 1.00 0.00 C ATOM 0 H MET A 54 8.956 11.378 -2.836 1.00 0.00 H new ATOM 0 HA MET A 54 7.022 12.419 -2.831 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.641 14.462 -4.402 1.00 0.00 H new ATOM 0 HB3 MET A 54 7.270 14.799 -3.363 1.00 0.00 H new ATOM 0 HG2 MET A 54 8.667 13.686 -1.473 1.00 0.00 H new ATOM 0 HG3 MET A 54 10.031 13.834 -2.563 1.00 0.00 H new ATOM 0 HE1 MET A 54 10.360 17.743 -2.985 1.00 0.00 H new ATOM 0 HE2 MET A 54 11.010 16.152 -3.448 1.00 0.00 H new ATOM 0 HE3 MET A 54 9.399 16.655 -4.015 1.00 0.00 H new ATOM 861 N ALA A 55 6.446 11.337 -5.397 1.00 0.00 N ATOM 862 CA ALA A 55 5.611 11.020 -6.551 1.00 0.00 C ATOM 863 C ALA A 55 4.525 10.014 -6.162 1.00 0.00 C ATOM 864 O ALA A 55 4.384 9.637 -4.997 1.00 0.00 O ATOM 865 CB ALA A 55 6.468 10.530 -7.728 1.00 0.00 C ATOM 0 H ALA A 55 6.899 10.511 -5.006 1.00 0.00 H new ATOM 0 HA ALA A 55 5.108 11.928 -6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.823 10.300 -8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.176 11.308 -8.011 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.013 9.633 -7.433 1.00 0.00 H new ATOM 871 N VAL A 56 3.719 9.618 -7.143 1.00 0.00 N ATOM 872 CA VAL A 56 2.417 8.985 -6.963 1.00 0.00 C ATOM 873 C VAL A 56 2.231 7.864 -7.998 1.00 0.00 C ATOM 874 O VAL A 56 2.856 7.939 -9.055 1.00 0.00 O ATOM 875 CB VAL A 56 1.289 10.042 -7.094 1.00 0.00 C ATOM 876 CG1 VAL A 56 1.274 11.020 -5.914 1.00 0.00 C ATOM 877 CG2 VAL A 56 1.350 10.860 -8.397 1.00 0.00 C ATOM 0 H VAL A 56 3.966 9.734 -8.126 1.00 0.00 H new ATOM 0 HA VAL A 56 2.367 8.548 -5.966 1.00 0.00 H new ATOM 0 HB VAL A 56 0.373 9.451 -7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.468 11.741 -6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.116 10.469 -4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.227 11.546 -5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.529 11.577 -8.415 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.299 11.393 -8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.264 10.189 -9.252 1.00 0.00 H new ATOM 887 N PRO A 57 1.314 6.902 -7.774 1.00 0.00 N ATOM 888 CA PRO A 57 0.614 6.650 -6.519 1.00 0.00 C ATOM 889 C PRO A 57 1.582 6.094 -5.473 1.00 0.00 C ATOM 890 O PRO A 57 2.276 5.116 -5.724 1.00 0.00 O ATOM 891 CB PRO A 57 -0.497 5.658 -6.862 1.00 0.00 C ATOM 892 CG PRO A 57 0.027 4.913 -8.071 1.00 0.00 C ATOM 893 CD PRO A 57 0.920 5.927 -8.782 1.00 0.00 C ATOM 0 HA PRO A 57 0.197 7.559 -6.085 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.695 4.980 -6.032 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.433 6.170 -7.085 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.588 4.025 -7.779 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.786 4.579 -8.715 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.794 5.440 -9.214 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.386 6.409 -9.601 1.00 0.00 H new ATOM 901 N THR A 58 1.631 6.736 -4.314 1.00 0.00 N ATOM 902 CA THR A 58 2.571 6.503 -3.235 1.00 0.00 C ATOM 903 C THR A 58 2.092 5.243 -2.496 1.00 0.00 C ATOM 904 O THR A 58 1.349 5.320 -1.515 1.00 0.00 O ATOM 905 CB THR A 58 2.544 7.784 -2.371 1.00 0.00 C ATOM 906 OG1 THR A 58 2.491 8.959 -3.169 1.00 0.00 O ATOM 907 CG2 THR A 58 3.650 7.957 -1.340 1.00 0.00 C ATOM 0 H THR A 58 0.971 7.481 -4.092 1.00 0.00 H new ATOM 0 HA THR A 58 3.600 6.324 -3.546 1.00 0.00 H new ATOM 0 HB THR A 58 1.629 7.640 -1.797 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.235 8.955 -3.807 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.507 8.897 -0.807 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.619 7.130 -0.631 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.617 7.968 -1.842 1.00 0.00 H new ATOM 915 N ILE A 59 2.398 4.052 -3.012 1.00 0.00 N ATOM 916 CA ILE A 59 1.911 2.821 -2.401 1.00 0.00 C ATOM 917 C ILE A 59 3.008 2.370 -1.441 1.00 0.00 C ATOM 918 O ILE A 59 4.181 2.637 -1.678 1.00 0.00 O ATOM 919 CB ILE A 59 1.549 1.803 -3.509 1.00 0.00 C ATOM 920 CG1 ILE A 59 0.553 2.351 -4.560 1.00 0.00 C ATOM 921 CG2 ILE A 59 0.939 0.519 -2.901 1.00 0.00 C ATOM 922 CD1 ILE A 59 -0.617 3.145 -3.973 1.00 0.00 C ATOM 0 H ILE A 59 2.975 3.917 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 59 0.990 2.944 -1.832 1.00 0.00 H new ATOM 0 HB ILE A 59 2.492 1.590 -4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.095 2.989 -5.257 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.156 1.515 -5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.693 -0.181 -3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.659 0.059 -2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.034 0.772 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.263 3.490 -4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.188 2.507 -3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.234 4.004 -3.422 1.00 0.00 H new ATOM 934 N VAL A 60 2.690 1.609 -0.406 1.00 0.00 N ATOM 935 CA VAL A 60 3.666 1.064 0.530 1.00 0.00 C ATOM 936 C VAL A 60 3.455 -0.441 0.517 1.00 0.00 C ATOM 937 O VAL A 60 2.301 -0.864 0.591 1.00 0.00 O ATOM 938 CB VAL A 60 3.486 1.714 1.915 1.00 0.00 C ATOM 939 CG1 VAL A 60 4.591 1.318 2.894 1.00 0.00 C ATOM 940 CG2 VAL A 60 3.469 3.250 1.810 1.00 0.00 C ATOM 0 H VAL A 60 1.729 1.347 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 60 4.698 1.281 0.253 1.00 0.00 H new ATOM 0 HB VAL A 60 2.531 1.349 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.417 1.803 3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.588 0.236 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.557 1.632 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.341 3.681 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.410 3.596 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.644 3.562 1.170 1.00 0.00 H new ATOM 950 N ILE A 61 4.523 -1.224 0.315 1.00 0.00 N ATOM 951 CA ILE A 61 4.484 -2.688 0.321 1.00 0.00 C ATOM 952 C ILE A 61 5.543 -3.253 1.263 1.00 0.00 C ATOM 953 O ILE A 61 6.659 -2.736 1.313 1.00 0.00 O ATOM 954 CB ILE A 61 4.644 -3.263 -1.098 1.00 0.00 C ATOM 955 CG1 ILE A 61 5.955 -2.801 -1.789 1.00 0.00 C ATOM 956 CG2 ILE A 61 3.350 -2.955 -1.878 1.00 0.00 C ATOM 957 CD1 ILE A 61 6.238 -3.518 -3.114 1.00 0.00 C ATOM 0 H ILE A 61 5.455 -0.848 0.140 1.00 0.00 H new ATOM 0 HA ILE A 61 3.504 -2.992 0.688 1.00 0.00 H new ATOM 0 HB ILE A 61 4.767 -4.345 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.901 -1.728 -1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.791 -2.967 -1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.432 -3.351 -2.890 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.502 -3.420 -1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.199 -1.876 -1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.169 -3.144 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.325 -4.590 -2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.421 -3.331 -3.811 1.00 0.00 H new ATOM 969 N ASN A 62 5.205 -4.348 1.955 1.00 0.00 N ATOM 970 CA ASN A 62 5.840 -4.920 3.152 1.00 0.00 C ATOM 971 C ASN A 62 6.157 -3.931 4.283 1.00 0.00 C ATOM 972 O ASN A 62 5.763 -4.183 5.421 1.00 0.00 O ATOM 973 CB ASN A 62 7.004 -5.853 2.793 1.00 0.00 C ATOM 974 CG ASN A 62 7.745 -6.357 4.030 1.00 0.00 C ATOM 975 OD1 ASN A 62 7.162 -6.975 4.919 1.00 0.00 O ATOM 976 ND2 ASN A 62 9.048 -6.161 4.100 1.00 0.00 N ATOM 0 H ASN A 62 4.405 -4.910 1.665 1.00 0.00 H new ATOM 0 HA ASN A 62 5.064 -5.538 3.605 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.624 -6.704 2.228 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.703 -5.326 2.143 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.576 -6.523 4.894 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.527 -5.648 3.360 1.00 0.00 H new ATOM 983 N GLY A 63 6.813 -2.818 3.981 1.00 0.00 N ATOM 984 CA GLY A 63 6.831 -1.609 4.777 1.00 0.00 C ATOM 985 C GLY A 63 7.381 -0.409 3.997 1.00 0.00 C ATOM 986 O GLY A 63 7.223 0.712 4.472 1.00 0.00 O ATOM 0 H GLY A 63 7.372 -2.735 3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.820 -1.386 5.118 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.439 -1.771 5.667 1.00 0.00 H new ATOM 990 N ASP A 64 8.039 -0.591 2.841 1.00 0.00 N ATOM 991 CA ASP A 64 8.630 0.524 2.101 1.00 0.00 C ATOM 992 C ASP A 64 7.676 1.106 1.063 1.00 0.00 C ATOM 993 O ASP A 64 6.818 0.401 0.525 1.00 0.00 O ATOM 994 CB ASP A 64 9.958 0.141 1.435 1.00 0.00 C ATOM 995 CG ASP A 64 10.832 1.381 1.174 1.00 0.00 C ATOM 996 OD1 ASP A 64 10.565 2.467 1.749 1.00 0.00 O ATOM 997 OD2 ASP A 64 11.841 1.255 0.447 1.00 0.00 O ATOM 0 H ASP A 64 8.173 -1.502 2.402 1.00 0.00 H new ATOM 0 HA ASP A 64 8.830 1.295 2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.498 -0.559 2.072 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.760 -0.372 0.494 1.00 0.00 H new ATOM 1002 N VAL A 65 7.845 2.388 0.746 1.00 0.00 N ATOM 1003 CA VAL A 65 7.109 3.045 -0.325 1.00 0.00 C ATOM 1004 C VAL A 65 7.556 2.481 -1.681 1.00 0.00 C ATOM 1005 O VAL A 65 8.653 1.937 -1.790 1.00 0.00 O ATOM 1006 CB VAL A 65 7.298 4.573 -0.264 1.00 0.00 C ATOM 1007 CG1 VAL A 65 6.823 5.176 1.067 1.00 0.00 C ATOM 1008 CG2 VAL A 65 8.750 4.990 -0.555 1.00 0.00 C ATOM 0 H VAL A 65 8.501 3.001 1.230 1.00 0.00 H new ATOM 0 HA VAL A 65 6.045 2.845 -0.200 1.00 0.00 H new ATOM 0 HB VAL A 65 6.665 4.979 -1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.980 6.255 1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.762 4.965 1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.389 4.737 1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.835 6.075 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.413 4.537 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.032 4.653 -1.553 1.00 0.00 H new ATOM 1018 N GLU A 66 6.740 2.679 -2.721 1.00 0.00 N ATOM 1019 CA GLU A 66 7.078 2.605 -4.140 1.00 0.00 C ATOM 1020 C GLU A 66 5.816 2.944 -4.951 1.00 0.00 C ATOM 1021 O GLU A 66 4.692 2.829 -4.442 1.00 0.00 O ATOM 1022 CB GLU A 66 7.586 1.191 -4.549 1.00 0.00 C ATOM 1023 CG GLU A 66 8.408 1.131 -5.846 1.00 0.00 C ATOM 1024 CD GLU A 66 9.392 2.296 -5.977 1.00 0.00 C ATOM 1025 OE1 GLU A 66 8.933 3.380 -6.394 1.00 0.00 O ATOM 1026 OE2 GLU A 66 10.567 2.121 -5.579 1.00 0.00 O ATOM 0 H GLU A 66 5.757 2.911 -2.580 1.00 0.00 H new ATOM 0 HA GLU A 66 7.883 3.312 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.194 0.794 -3.736 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.725 0.532 -4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.958 0.191 -5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.731 1.135 -6.701 1.00 0.00 H new ATOM 1033 N PHE A 67 5.971 3.221 -6.239 1.00 0.00 N ATOM 1034 CA PHE A 67 4.888 3.294 -7.214 1.00 0.00 C ATOM 1035 C PHE A 67 5.307 2.454 -8.417 1.00 0.00 C ATOM 1036 O PHE A 67 6.498 2.264 -8.643 1.00 0.00 O ATOM 1037 CB PHE A 67 4.622 4.757 -7.588 1.00 0.00 C ATOM 1038 CG PHE A 67 5.556 5.372 -8.621 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.934 5.508 -8.361 1.00 0.00 C ATOM 1040 CD2 PHE A 67 5.044 5.804 -9.860 1.00 0.00 C ATOM 1041 CE1 PHE A 67 7.790 6.048 -9.337 1.00 0.00 C ATOM 1042 CE2 PHE A 67 5.897 6.358 -10.831 1.00 0.00 C ATOM 1043 CZ PHE A 67 7.273 6.477 -10.571 1.00 0.00 C ATOM 0 H PHE A 67 6.886 3.408 -6.649 1.00 0.00 H new ATOM 0 HA PHE A 67 3.954 2.902 -6.811 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.601 4.834 -7.962 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.675 5.357 -6.680 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.335 5.196 -7.408 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.988 5.709 -10.066 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.848 6.133 -9.138 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.495 6.692 -11.776 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.931 6.897 -11.317 1.00 0.00 H new ATOM 1053 N ILE A 68 4.358 1.930 -9.196 1.00 0.00 N ATOM 1054 CA ILE A 68 4.683 1.218 -10.423 1.00 0.00 C ATOM 1055 C ILE A 68 3.812 1.798 -11.535 1.00 0.00 C ATOM 1056 O ILE A 68 2.823 1.206 -11.961 1.00 0.00 O ATOM 1057 CB ILE A 68 4.666 -0.329 -10.263 1.00 0.00 C ATOM 1058 CG1 ILE A 68 5.601 -0.836 -9.130 1.00 0.00 C ATOM 1059 CG2 ILE A 68 5.062 -0.927 -11.628 1.00 0.00 C ATOM 1060 CD1 ILE A 68 7.093 -0.841 -9.472 1.00 0.00 C ATOM 0 H ILE A 68 3.360 1.988 -8.995 1.00 0.00 H new ATOM 0 HA ILE A 68 5.723 1.380 -10.704 1.00 0.00 H new ATOM 0 HB ILE A 68 3.668 -0.651 -9.966 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.448 -0.213 -8.248 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.303 -1.849 -8.860 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.063 -2.015 -11.562 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.345 -0.610 -12.386 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.058 -0.579 -11.903 1.00 0.00 H new ATOM 0 HD11 ILE A 68 7.661 -1.211 -8.618 1.00 0.00 H new ATOM 0 HD12 ILE A 68 7.267 -1.488 -10.331 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.415 0.173 -9.710 1.00 0.00 H new ATOM 1072 N GLY A 69 4.230 2.960 -12.037 1.00 0.00 N ATOM 1073 CA GLY A 69 3.627 3.564 -13.210 1.00 0.00 C ATOM 1074 C GLY A 69 2.421 4.427 -12.845 1.00 0.00 C ATOM 1075 O GLY A 69 2.250 4.835 -11.702 1.00 0.00 O ATOM 0 H GLY A 69 4.996 3.503 -11.638 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.368 4.174 -13.727 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.318 2.782 -13.904 1.00 0.00 H new ATOM 1079 N ALA A 70 1.609 4.743 -13.857 1.00 0.00 N ATOM 1080 CA ALA A 70 0.325 5.410 -13.680 1.00 0.00 C ATOM 1081 C ALA A 70 -0.735 4.601 -12.897 1.00 0.00 C ATOM 1082 O ALA A 70 -1.568 5.251 -12.261 1.00 0.00 O ATOM 1083 CB ALA A 70 -0.228 5.810 -15.054 1.00 0.00 C ATOM 0 H ALA A 70 1.831 4.539 -14.831 1.00 0.00 H new ATOM 0 HA ALA A 70 0.525 6.284 -13.060 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.189 6.309 -14.928 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.471 6.487 -15.545 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.360 4.918 -15.667 1.00 0.00 H new ATOM 1089 N PRO A 71 -0.815 3.250 -12.953 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.724 2.523 -12.073 1.00 0.00 C ATOM 1091 C PRO A 71 -1.166 2.504 -10.645 1.00 0.00 C ATOM 1092 O PRO A 71 -0.068 2.984 -10.371 1.00 0.00 O ATOM 1093 CB PRO A 71 -1.843 1.117 -12.673 1.00 0.00 C ATOM 1094 CG PRO A 71 -0.470 0.903 -13.297 1.00 0.00 C ATOM 1095 CD PRO A 71 -0.094 2.297 -13.796 1.00 0.00 C ATOM 0 HA PRO A 71 -2.707 2.989 -12.005 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.063 0.369 -11.911 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.639 1.059 -13.416 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.249 0.528 -12.569 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.506 0.180 -14.112 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.982 2.456 -13.728 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.369 2.421 -14.844 1.00 0.00 H new ATOM 1103 N THR A 72 -1.927 1.910 -9.728 1.00 0.00 N ATOM 1104 CA THR A 72 -1.441 1.426 -8.443 1.00 0.00 C ATOM 1105 C THR A 72 -0.361 0.342 -8.670 1.00 0.00 C ATOM 1106 O THR A 72 0.120 0.148 -9.786 1.00 0.00 O ATOM 1107 CB THR A 72 -2.673 0.964 -7.632 1.00 0.00 C ATOM 1108 OG1 THR A 72 -3.644 0.315 -8.436 1.00 0.00 O ATOM 1109 CG2 THR A 72 -3.395 2.178 -7.033 1.00 0.00 C ATOM 0 H THR A 72 -2.925 1.749 -9.864 1.00 0.00 H new ATOM 0 HA THR A 72 -0.940 2.198 -7.859 1.00 0.00 H new ATOM 0 HB THR A 72 -2.286 0.281 -6.875 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.195 -0.228 -9.117 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.261 1.842 -6.464 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.715 2.717 -6.374 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.723 2.839 -7.835 1.00 0.00 H new ATOM 1117 N LYS A 73 0.118 -0.332 -7.615 1.00 0.00 N ATOM 1118 CA LYS A 73 1.407 -1.033 -7.670 1.00 0.00 C ATOM 1119 C LYS A 73 1.372 -2.353 -8.479 1.00 0.00 C ATOM 1120 O LYS A 73 2.250 -3.186 -8.293 1.00 0.00 O ATOM 1121 CB LYS A 73 1.941 -1.164 -6.230 1.00 0.00 C ATOM 1122 CG LYS A 73 3.430 -1.549 -6.180 1.00 0.00 C ATOM 1123 CD LYS A 73 4.323 -0.532 -5.472 1.00 0.00 C ATOM 1124 CE LYS A 73 4.086 -0.636 -3.960 1.00 0.00 C ATOM 1125 NZ LYS A 73 4.817 0.353 -3.138 1.00 0.00 N ATOM 0 H LYS A 73 -0.364 -0.406 -6.719 1.00 0.00 H new ATOM 0 HA LYS A 73 2.119 -0.442 -8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.797 -0.219 -5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.358 -1.916 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.527 -2.511 -5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.792 -1.684 -7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.371 -0.723 -5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.098 0.476 -5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.019 -0.527 -3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.368 -1.637 -3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.445 0.340 -2.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.829 0.113 -3.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.692 1.302 -3.544 1.00 0.00 H new ATOM 1139 N GLU A 74 0.394 -2.563 -9.359 1.00 0.00 N ATOM 1140 CA GLU A 74 0.008 -3.777 -10.082 1.00 0.00 C ATOM 1141 C GLU A 74 1.131 -4.780 -10.388 1.00 0.00 C ATOM 1142 O GLU A 74 0.954 -5.965 -10.101 1.00 0.00 O ATOM 1143 CB GLU A 74 -0.759 -3.354 -11.352 1.00 0.00 C ATOM 1144 CG GLU A 74 -2.289 -3.393 -11.190 1.00 0.00 C ATOM 1145 CD GLU A 74 -2.797 -2.901 -9.828 1.00 0.00 C ATOM 1146 OE1 GLU A 74 -2.542 -1.727 -9.471 1.00 0.00 O ATOM 1147 OE2 GLU A 74 -3.426 -3.727 -9.126 1.00 0.00 O ATOM 0 H GLU A 74 -0.223 -1.792 -9.614 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.627 -4.352 -9.407 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.457 -2.344 -11.629 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.472 -4.009 -12.175 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.740 -2.784 -11.974 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.632 -4.416 -11.344 1.00 0.00 H new ATOM 1154 N ALA A 75 2.269 -4.350 -10.949 1.00 0.00 N ATOM 1155 CA ALA A 75 3.372 -5.271 -11.231 1.00 0.00 C ATOM 1156 C ALA A 75 3.877 -5.929 -9.944 1.00 0.00 C ATOM 1157 O ALA A 75 4.027 -7.148 -9.884 1.00 0.00 O ATOM 1158 CB ALA A 75 4.538 -4.549 -11.917 1.00 0.00 C ATOM 0 H ALA A 75 2.447 -3.381 -11.213 1.00 0.00 H new ATOM 0 HA ALA A 75 2.986 -6.038 -11.902 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.341 -5.259 -12.113 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.196 -4.119 -12.858 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.907 -3.755 -11.268 1.00 0.00 H new ATOM 1164 N LEU A 76 4.167 -5.112 -8.926 1.00 0.00 N ATOM 1165 CA LEU A 76 4.620 -5.634 -7.641 1.00 0.00 C ATOM 1166 C LEU A 76 3.470 -6.269 -6.865 1.00 0.00 C ATOM 1167 O LEU A 76 3.744 -7.196 -6.117 1.00 0.00 O ATOM 1168 CB LEU A 76 5.331 -4.553 -6.804 1.00 0.00 C ATOM 1169 CG LEU A 76 6.861 -4.708 -6.706 1.00 0.00 C ATOM 1170 CD1 LEU A 76 7.282 -5.940 -5.897 1.00 0.00 C ATOM 1171 CD2 LEU A 76 7.526 -4.730 -8.088 1.00 0.00 C ATOM 0 H LEU A 76 4.096 -4.095 -8.970 1.00 0.00 H new ATOM 0 HA LEU A 76 5.352 -6.415 -7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.106 -3.576 -7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.915 -4.562 -5.797 1.00 0.00 H new ATOM 0 HG LEU A 76 7.211 -3.826 -6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.370 -5.998 -5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.890 -5.861 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.886 -6.839 -6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.604 -4.841 -7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.136 -5.567 -8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.311 -3.797 -8.610 1.00 0.00 H new ATOM 1183 N VAL A 77 2.219 -5.836 -7.054 1.00 0.00 N ATOM 1184 CA VAL A 77 1.041 -6.457 -6.439 1.00 0.00 C ATOM 1185 C VAL A 77 1.039 -7.945 -6.799 1.00 0.00 C ATOM 1186 O VAL A 77 0.981 -8.803 -5.916 1.00 0.00 O ATOM 1187 CB VAL A 77 -0.252 -5.734 -6.896 1.00 0.00 C ATOM 1188 CG1 VAL A 77 -1.567 -6.416 -6.505 1.00 0.00 C ATOM 1189 CG2 VAL A 77 -0.338 -4.273 -6.430 1.00 0.00 C ATOM 0 H VAL A 77 1.993 -5.036 -7.645 1.00 0.00 H new ATOM 0 HA VAL A 77 1.078 -6.363 -5.354 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.150 -5.784 -7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.406 -5.827 -6.874 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.604 -7.414 -6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.628 -6.494 -5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.269 -3.832 -6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.313 -4.236 -5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.507 -3.713 -6.831 1.00 0.00 H new ATOM 1199 N GLU A 78 1.127 -8.269 -8.096 1.00 0.00 N ATOM 1200 CA GLU A 78 1.061 -9.659 -8.540 1.00 0.00 C ATOM 1201 C GLU A 78 2.234 -10.486 -7.996 1.00 0.00 C ATOM 1202 O GLU A 78 2.077 -11.682 -7.752 1.00 0.00 O ATOM 1203 CB GLU A 78 0.947 -9.714 -10.073 1.00 0.00 C ATOM 1204 CG GLU A 78 0.649 -11.123 -10.622 1.00 0.00 C ATOM 1205 CD GLU A 78 -0.565 -11.799 -9.966 1.00 0.00 C ATOM 1206 OE1 GLU A 78 -1.604 -11.137 -9.725 1.00 0.00 O ATOM 1207 OE2 GLU A 78 -0.499 -13.003 -9.630 1.00 0.00 O ATOM 0 H GLU A 78 1.243 -7.590 -8.848 1.00 0.00 H new ATOM 0 HA GLU A 78 0.163 -10.119 -8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.158 -9.034 -10.394 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.877 -9.352 -10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.479 -11.056 -11.697 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.527 -11.753 -10.477 1.00 0.00 H new ATOM 1214 N ALA A 79 3.388 -9.861 -7.742 1.00 0.00 N ATOM 1215 CA ALA A 79 4.487 -10.519 -7.058 1.00 0.00 C ATOM 1216 C ALA A 79 4.140 -10.722 -5.584 1.00 0.00 C ATOM 1217 O ALA A 79 4.000 -11.864 -5.155 1.00 0.00 O ATOM 1218 CB ALA A 79 5.794 -9.739 -7.243 1.00 0.00 C ATOM 0 H ALA A 79 3.578 -8.894 -8.005 1.00 0.00 H new ATOM 0 HA ALA A 79 4.643 -11.503 -7.501 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.601 -10.253 -6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.032 -9.674 -8.305 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.679 -8.735 -6.835 1.00 0.00 H new ATOM 1224 N ILE A 80 4.015 -9.663 -4.786 1.00 0.00 N ATOM 1225 CA ILE A 80 3.945 -9.809 -3.340 1.00 0.00 C ATOM 1226 C ILE A 80 2.747 -10.658 -2.885 1.00 0.00 C ATOM 1227 O ILE A 80 2.867 -11.334 -1.863 1.00 0.00 O ATOM 1228 CB ILE A 80 4.079 -8.443 -2.639 1.00 0.00 C ATOM 1229 CG1 ILE A 80 2.821 -7.574 -2.812 1.00 0.00 C ATOM 1230 CG2 ILE A 80 5.363 -7.731 -3.123 1.00 0.00 C ATOM 1231 CD1 ILE A 80 3.002 -6.187 -2.200 1.00 0.00 C ATOM 0 H ILE A 80 3.961 -8.700 -5.118 1.00 0.00 H new ATOM 0 HA ILE A 80 4.808 -10.391 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 80 4.169 -8.612 -1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.590 -7.476 -3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.970 -8.069 -2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.454 -6.766 -2.625 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.231 -8.345 -2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.311 -7.579 -4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.092 -5.605 -2.343 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.207 -6.284 -1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.837 -5.681 -2.686 1.00 0.00 H new ATOM 1243 N LYS A 81 1.646 -10.738 -3.656 1.00 0.00 N ATOM 1244 CA LYS A 81 0.556 -11.664 -3.324 1.00 0.00 C ATOM 1245 C LYS A 81 0.929 -13.135 -3.466 1.00 0.00 C ATOM 1246 O LYS A 81 0.340 -13.947 -2.751 1.00 0.00 O ATOM 1247 CB LYS A 81 -0.726 -11.367 -4.111 1.00 0.00 C ATOM 1248 CG LYS A 81 -0.700 -11.675 -5.615 1.00 0.00 C ATOM 1249 CD LYS A 81 -2.006 -11.201 -6.278 1.00 0.00 C ATOM 1250 CE LYS A 81 -2.923 -12.370 -6.660 1.00 0.00 C ATOM 1251 NZ LYS A 81 -2.539 -12.963 -7.958 1.00 0.00 N ATOM 0 H LYS A 81 1.492 -10.182 -4.497 1.00 0.00 H new ATOM 0 HA LYS A 81 0.364 -11.485 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -1.540 -11.935 -3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.966 -10.311 -3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.153 -11.180 -6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.572 -12.746 -5.772 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.535 -10.534 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -1.768 -10.622 -7.170 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.881 -13.134 -5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.955 -12.022 -6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.114 -13.811 -8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.700 -12.271 -8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.533 -13.225 -7.936 1.00 0.00 H new ATOM 1265 N LYS A 82 1.821 -13.522 -4.391 1.00 0.00 N ATOM 1266 CA LYS A 82 2.314 -14.904 -4.414 1.00 0.00 C ATOM 1267 C LYS A 82 3.340 -15.094 -3.304 1.00 0.00 C ATOM 1268 O LYS A 82 3.326 -16.136 -2.643 1.00 0.00 O ATOM 1269 CB LYS A 82 2.781 -15.389 -5.809 1.00 0.00 C ATOM 1270 CG LYS A 82 3.873 -14.646 -6.595 1.00 0.00 C ATOM 1271 CD LYS A 82 5.329 -14.839 -6.140 1.00 0.00 C ATOM 1272 CE LYS A 82 6.289 -13.997 -6.994 1.00 0.00 C ATOM 1273 NZ LYS A 82 7.326 -13.328 -6.172 1.00 0.00 N ATOM 0 H LYS A 82 2.206 -12.915 -5.114 1.00 0.00 H new ATOM 0 HA LYS A 82 1.473 -15.567 -4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.122 -16.417 -5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.897 -15.419 -6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.803 -14.952 -7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.648 -13.580 -6.559 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.427 -14.557 -5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.600 -15.892 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.770 -14.636 -7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.721 -13.245 -7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.931 -12.744 -6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.868 -12.724 -5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.907 -14.046 -5.695 1.00 0.00 H new ATOM 1287 N ARG A 83 4.203 -14.102 -3.104 1.00 0.00 N ATOM 1288 CA ARG A 83 5.332 -14.026 -2.201 1.00 0.00 C ATOM 1289 C ARG A 83 6.025 -12.741 -2.612 1.00 0.00 C ATOM 1290 O ARG A 83 6.266 -12.550 -3.801 1.00 0.00 O ATOM 1291 CB ARG A 83 6.316 -15.204 -2.365 1.00 0.00 C ATOM 1292 CG ARG A 83 7.567 -14.988 -1.497 1.00 0.00 C ATOM 1293 CD ARG A 83 8.632 -16.070 -1.663 1.00 0.00 C ATOM 1294 NE ARG A 83 8.095 -17.389 -1.332 1.00 0.00 N ATOM 1295 CZ ARG A 83 7.877 -17.876 -0.109 1.00 0.00 C ATOM 1296 NH1 ARG A 83 8.235 -17.196 0.981 1.00 0.00 N ATOM 1297 NH2 ARG A 83 7.283 -19.053 0.004 1.00 0.00 N ATOM 0 H ARG A 83 4.111 -13.236 -3.635 1.00 0.00 H new ATOM 0 HA ARG A 83 5.005 -14.059 -1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.827 -16.136 -2.082 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.605 -15.301 -3.412 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.005 -14.021 -1.743 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.267 -14.945 -0.450 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.999 -16.070 -2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.484 -15.848 -1.020 1.00 0.00 H new ATOM 0 HE ARG A 83 7.863 -17.999 -2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.685 -16.285 0.889 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.059 -17.587 1.907 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.003 -19.566 -0.832 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.105 -19.448 0.927 1.00 0.00 H new ATOM 1311 N LEU A 84 6.374 -11.930 -1.626 1.00 0.00 N ATOM 1312 CA LEU A 84 7.328 -10.817 -1.688 1.00 0.00 C ATOM 1313 C LEU A 84 8.302 -10.983 -2.854 1.00 0.00 C ATOM 1314 O LEU A 84 8.343 -10.104 -3.736 1.00 0.00 O ATOM 1315 CB LEU A 84 8.087 -10.718 -0.351 1.00 0.00 C ATOM 1316 CG LEU A 84 8.501 -9.290 0.037 1.00 0.00 C ATOM 1317 CD1 LEU A 84 9.322 -9.361 1.324 1.00 0.00 C ATOM 1318 CD2 LEU A 84 9.327 -8.561 -1.022 1.00 0.00 C ATOM 1319 OXT LEU A 84 9.020 -12.010 -2.871 1.00 0.00 O ATOM 0 H LEU A 84 5.974 -12.033 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 84 6.776 -9.893 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.461 -11.130 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.980 -11.340 -0.407 1.00 0.00 H new ATOM 0 HG LEU A 84 7.579 -8.721 0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.626 -8.356 1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.718 -9.803 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.208 -9.974 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.575 -7.561 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.245 -9.116 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.751 -8.485 -1.944 1.00 0.00 H new TER 1331 LEU A 84